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MPI_topologies.f
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MPI_topologies.f
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module MPI_definitions_m
use MPI
use type_m , only : warning
use parameters_m , only : driver , QMMM , EnvField_
public :: world , myid , master , slave , np
public :: ChebyComm , ChebyCrew , myCheby
public :: KernelComm , KernelCrew , myKernel
public :: ForceComm , ForceCrew , myForce , npForce
public :: EnvComm , EnvCrew , myEnvId , npEnv
public :: myAxisComm , AxisCrew , myAxis_rank , np_per_axis
public :: ChebyKernelComm , myChebyKernel
public :: ForceCrewComm
public :: launch_MPI , setup_MPI_labor_force
private
! module variables ...
integer :: world , myid , np
integer :: KernelComm , myKernel
integer :: ChebyComm , myCheby
integer :: ChebyKernelComm , myChebyKernel
integer :: ForceComm , myForce , npForce
integer :: ForceCrewComm
integer :: myAxisComm , myAxis_rank , np_per_axis
integer :: EnvComm , myEnvId , npEnv
logical :: master = .false. , slave = .true.
logical :: ChebyCrew = .false.
logical :: ForceCrew = .false.
logical :: KernelCrew = .false.
logical :: AxisCrew = .false.
logical :: EnvCrew = .false.
! module parameters ...
integer :: EnvProcs = 4 ! <== MPI procs dedicated to EnvFields; default = 6 ...
contains
!
!
!
!=====================
subroutine launch_MPI
!=====================
implicit none
! local variables ...
integer :: err
! define MPI_COMM_WORLD ...
world = MPI_COMM_WORLD
CALL MPI_INIT(err) ! <== initiates MPI environment
CALL MPI_COMM_RANK(world,myid,err) ! <== sets the rank of processes
CALL MPI_COMM_SIZE(world,np,err) ! <== gets the total number of processes
if( myid == 0 ) master = .true.
if( myid == 0 ) slave = .false.
if( QMMM ) then
if( np < 3 ) then
if( master ) CALL warning("halting: # of MPI processes < 3; # of MPI processes must be at least 3")
Call mpi_barrier( world , err )
stop
end if
end if
end subroutine launch_MPI
!
!
!
!================================
subroutine setup_MPI_labor_force
!================================
implicit none
! local variables ...
integer :: err
select case ( driver )
case ( "slice_AO" , "slice_ElHl" )
CALL setup_Adiabatic_Crew
case ( "slice_Cheb" )
CALL setup_Chebyshev_Crew
case ( "slice_CSDM" )
CALL setup_CSDM_Crew
if( np < 4 ) then
if( master ) CALL warning("halting: # of MPI processes must be at least 4 for DRIVER=CSDM")
Call mpi_barrier( world , err )
stop
end if
case ( "slice_FSSH" )
CALL warning("halting: FSSH not yet implemented with MPI; use SingleNode version")
call MPI_FINALIZE(err)
stop
case ( "MM_Dynamics" )
! carry on SN style with master
case default
end select
end subroutine setup_MPI_labor_force
!
!
!
!===============================
subroutine setup_CSDM_Crew
!===============================
implicit none
! local variables ...
integer :: err , my_color , my_tune , ForceCrewLimit , xyz , my_rank
logical :: drafted = .false.
! define sub_groups and new communicators ...
!------------------------------------------------------------------------
! KernelComm group = (0,1,2,3) ; to work in "EhrenfestForce" along xyz ...
select case ( myid )
case (0)
my_color = 0
case (1:3)
my_color = 0
KernelCrew = .true.
case (4:)
my_color = MPI_undefined
end select
CALL MPI_Comm_split( world , my_color , myid , KernelComm , err )
If( KernelCrew ) CALL MPI_COMM_RANK ( KernelComm , myKernel , err ) ! <== sets the rank of processes in KernelComm
!------------------------------------------------------------------------
ForceCrewLimit = (np-1) - merge( EnvProcs , 0 , EnvField_ )
! defining ForceComm = master + ForceCrew ...
my_color = MPI_undefined
if( myid <= ForceCrewLimit ) then
my_color = 0
drafted = .true.
end if
CALL MPI_Comm_split( world , my_color , myid , ForceComm , err )
if( drafted ) then
CALL MPI_COMM_RANK (ForceComm , my_rank , err ) ! <== sets the rank of processes
end if
! defining myAxisComm = a Communication channel for each axis (x;y;z) ...
! AxisCrew dwells inside xyz loop ; Kernel Crew joins AxisCrew ...
my_color = MPI_undefined
my_tune = MPI_undefined
if( master ) then
! do nothing
elseif( myid <= ForceCrewLimit ) then
xyz = mod( (myid-1) , 3 ) + 1
my_color = xyz
AxisCrew = .true.
my_tune = 0
ForceCrew = .true.
end if
CALL MPI_Comm_split( world , my_color , myid , myAxisComm , err ) ! <== a Communication channel for each axis
if( AxisCrew ) then
CALL MPI_COMM_RANK (myAxisComm , myAxis_rank , err ) ! <== sets the rank of processes
CALL MPI_COMM_SIZE (myAxisComm , np_per_axis , err ) ! <== gets the total number of processes
end if
CALL MPI_Comm_split( world , my_tune , myid , ForceCrewComm , err ) ! <== a Communication channel for each axis
if( ForceCrew ) then
CALL MPI_COMM_RANK (ForceCrewComm , myForce , err ) ! <== sets the rank of processes
CALL MPI_COMM_SIZE (ForceCrewComm , npforce , err ) ! <== gets the total number of processes
end if
! processes released for next drafting ...
drafted = .false.
!------------------------------------------------------------------------
! EnvComm group = (0,[EnvProcs]) ; to work in "even_more_extended_huckel" ...
If( EnvField_ ) then
IF( myid == 0 ) then ! <== case(0)
my_color = 0
drafted = .true.
ElseIf( myid > ForceCrewLimit ) then ! <== case(ForceCrewLimit+1:)
my_color = 0
drafted = .true.
EnvCrew = .true.
Else
my_color = MPI_undefined
EndIf
CALL MPI_Comm_split( world , my_color , myid , EnvComm , err )
If( drafted ) then
CALL MPI_COMM_RANK (EnvComm , myEnvId , err ) ! <== sets the rank of processes
CALL MPI_COMM_SIZE (EnvComm , npEnv , err ) ! <== gets the total number of processes
end If
EndIf
!------------------------------------------------------------------------
end subroutine setup_CSDM_Crew
!
!
!
!===============================
subroutine setup_Adiabatic_Crew
!===============================
implicit none
! local variables ...
integer :: err , my_color , ForceCrewLimit
logical :: drafted = .false.
! define sub_groups and new communicators ...
!------------------------------------------------------------------------
! KernelComm group = (0,1,2) ; to work in "EhrenfestForce" ...
select case ( myid )
case (0)
my_color = 0
case (1:2)
my_color = 0
KernelCrew = .true.
case (3:)
my_color = MPI_undefined
end select
CALL MPI_Comm_split( world , my_color , myid , KernelComm , err )
If( KernelCrew ) CALL MPI_COMM_RANK ( KernelComm , myKernel , err ) ! <== sets the rank of processes in KernelComm
!------------------------------------------------------------------------
! ForceComm group = KernelCrew + ForceCrew ; to work in "EhrenfestForce" ...
ForceCrewLimit = (np-1) - merge( EnvProcs , 0 , EnvField_ )
If( myid <= 2) then ! <== case(0:2)
my_color = 0
drafted = .true.
ElseIf( (3 <= myid) .AND. (myid <= ForceCrewLimit) ) then ! <== case(3:ForceCrewLimit)
my_color = 0
drafted = .true.
ForceCrew = .true.
Else ! <== case(ForceCrewLimit+1:)
my_color = MPI_undefined
EndIf
CALL MPI_Comm_split( world , my_color , myid , ForceComm , err )
If( drafted ) then
CALL MPI_COMM_RANK (ForceComm , myForce , err ) ! <== sets the rank of processes
CALL MPI_COMM_SIZE (ForceComm , npForce , err ) ! <== gets the total number of processes
end If
! processes released for next drafting ...
drafted = .false.
!------------------------------------------------------------------------
! EnvComm group = (0,[EnvProcs]) ; to work in "even_more_extended_huckel" ...
If( EnvField_ ) then
IF( myid == 0 ) then ! <== case(0)
my_color = 0
drafted = .true.
ElseIf( myid > ForceCrewLimit ) then ! <== case(ForceCrewLimit+1:)
my_color = 0
drafted = .true.
EnvCrew = .true.
Else
my_color = MPI_undefined
EndIf
CALL MPI_Comm_split( world , my_color , myid , EnvComm , err )
If( drafted ) then
CALL MPI_COMM_RANK (EnvComm , myEnvId , err ) ! <== sets the rank of processes
CALL MPI_COMM_SIZE (EnvComm , npEnv , err ) ! <== gets the total number of processes
end If
EndIf
!------------------------------------------------------------------------
end subroutine setup_Adiabatic_Crew
!
!
!
!===============================
subroutine setup_Chebyshev_Crew
!===============================
implicit none
! local variables ...
integer :: err , my_color , ForceCrewLimit
logical :: drafted = .false.
! define sub_groups and new communicators ...
!------------------------------------------------------------------------
! ChebyComm group = (0,1) ...
select case ( myid )
case (0,1)
my_color = 0
ChebyCrew = .true.
case (2:)
my_color = MPI_undefined
end select
CALL MPI_Comm_split( world , my_color , myid , ChebyComm , err )
If( ChebyCrew ) CALL MPI_COMM_RANK ( ChebyComm , myCheby , err ) ! <== sets the rank of processes in ChebyComm
! processes released for next drafting ...
drafted = .false.
!------------------------------------------------------------------------
! KernelComm group = (0,2) ...
select case ( myid )
case (0,2)
my_color = 0
drafted = .true.
case (1,3:)
my_color = MPI_undefined
end select
CALL MPI_Comm_split( world , my_color , myid , KernelComm , err )
If( drafted ) CALL MPI_COMM_RANK ( KernelComm , myKernel , err ) ! <== sets the rank of processes in KernelComm
! processes released for next drafting ...
drafted = .false.
!------------------------------------------------------------------------
! ChebyKernelComm group = (0,1,2) = ChebyComm + KernelComm ...
select case ( myid )
case (0:2)
my_color = 0
drafted = .true.
case (3:)
my_color = MPI_undefined
end select
CALL MPI_Comm_split( world , my_color , myid , ChebyKernelComm , err )
If( drafted ) CALL MPI_COMM_RANK ( ChebyKernelComm , myChebyKernel , err ) ! <== sets the rank of processes in KernelComm
! processes released for next drafting ...
drafted = .false.
!------------------------------------------------------------------------
! ForceComm group = KernelCrew + ForceCrew ...
ForceCrewLimit = (np-1) - merge( EnvProcs , 0 , EnvField_ )
If( myid == 0) then ! <== case(0)
my_color = 0
drafted = .true.
ElseIf( (2 <= myid) .AND. (myid <= ForceCrewLimit) ) then ! <== case(2:ForceCrewLimit)
my_color = 0
drafted = .true.
ForceCrew = .true.
Else ! <== case(1,ForceCrewLimit+1:)
my_color = MPI_undefined
EndIf
CALL MPI_Comm_split( world , my_color , myid , ForceComm , err )
If( drafted ) then
CALL MPI_COMM_RANK (ForceComm , myForce , err ) ! <== sets the rank of processes
CALL MPI_COMM_SIZE (ForceComm , npForce , err ) ! <== gets the total number of processes
end If
! processes released for next drafting ...
drafted = .false.
!------------------------------------------------------------------------
! EnvComm group = (0,[EnvProcs]) ; to work in "even_more_extended_huckel" ...
If( EnvField_ ) then
IF( myid == 0 ) then ! <== case(0)
my_color = 0
drafted = .true.
ElseIf( myid > ForceCrewLimit ) then ! <== case(ForceCrewLimit+1:)
my_color = 0
drafted = .true.
EnvCrew = .true.
Else
my_color = MPI_undefined
EndIf
CALL MPI_Comm_split( world , my_color , myid , EnvComm , err )
If( drafted ) then
CALL MPI_COMM_RANK (EnvComm , myEnvId , err ) ! <== sets the rank of processes
CALL MPI_COMM_SIZE (EnvComm , npEnv , err ) ! <== gets the total number of processes
end If
EndIf
!------------------------------------------------------------------------
end subroutine setup_Chebyshev_Crew
!
!
!
end module MPI_definitions_m